7-[[5-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C88H97F2N23O6 — CID 157137633

IUPAC7-[[5-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCN1CCN(CC2(O)CCN(c3ccc(Nc4cnc(-c5ccnc6c5ccn6C)c5c4C(=O)NC5)nc3)CC2)CC1.Cc1cccn2c(-c3ccc(Nc4ccc(N5CCC(O)(CN6CCN(C)CC6)CC5)cn4)c4c3CNC4=O)cnc12.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(N4CC[C@H](O)[C@@H](F)C4)cn3)c21
InChIInChI=1S/C32H38N8O2.C31H37N9O2.C25H22F2N6O2/c1-22-4-3-11-40-27(20-34-30(22)40)24-6-7-26(29-25(24)19-35-31(29)41)36-28-8-5-23(18-33-28)39-12-9-32(42,10-13-39)21-38-16-14-37(2)15-17-38;1-37-13-15-39(16-14-37)20-31(42)7-11-40(12-8-31)21-3-4-26(33-17-21)36-25-19-34-28(24-18-35-30(41)27(24)25)22-5-9-32-29-23(22)6-10-38(29)2;26-14-5-8-33-20(12-29-23(33)9-14)16-2-3-19(24-17(16)11-30-25(24)35)31-22-4-1-15(10-28-22)32-7-6-21(34)18(27)13-32/h3-8,11,18,20,42H,9-10,12-17,19,21H2,1-2H3,(H,33,36)(H,35,41);3-6,9-10,17,19,42H,7-8,11-16,18,20H2,1-2H3,(H,33,36)(H,35,41);1-5,8-10,12,18,21,34H,6-7,11,13H2,(H,28,31)(H,30,35)/t;;18-,21-/m..0/s1
InChIKeyAJUSKZFTAUUHGY-MBPVHUHKSA-N
MW1610.89 g/mol
LogP9.30
Rot. Bonds16

About 7-[[5-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

7-[[5-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 157137633) has the molecular formula C88H97F2N23O6 and a molecular weight of 1610.89 g/mol. Its IUPAC name is 7-[[5-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name7-[[5-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID157137633
Molecular FormulaC88H97F2N23O6
Molecular Weight1610.89 g/mol
Exact Mass1609.80
IUPAC Name7-[[5-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCN1CCN(CC2(O)CCN(c3ccc(Nc4cnc(-c5ccnc6c5ccn6C)c5c4C(=O)NC5)nc3)CC2)CC1.Cc1cccn2c(-c3ccc(Nc4ccc(N5CCC(O)(CN6CCN(C)CC6)CC5)cn4)c4c3CNC4=O)cnc12.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(N4CC[C@H](O)[C@@H](F)C4)cn3)c21
InChIInChI=1S/C32H38N8O2.C31H37N9O2.C25H22F2N6O2/c1-22-4-3-11-40-27(20-34-30(22)40)24-6-7-26(29-25(24)19-35-31(29)41)36-28-8-5-23(18-33-28)39-12-9-32(42,10-13-39)21-38-16-14-37(2)15-17-38;1-37-13-15-39(16-14-37)20-31(42)7-11-40(12-8-31)21-3-4-26(33-17-21)36-25-19-34-28(24-18-35-30(41)27(24)25)22-5-9-32-29-23(22)6-10-38(29)2;26-14-5-8-33-20(12-29-23(33)9-14)16-2-3-19(24-17(16)11-30-25(24)35)31-22-4-1-15(10-28-22)32-7-6-21(34)18(27)13-32/h3-8,11,18,20,42H,9-10,12-17,19,21H2,1-2H3,(H,33,36)(H,35,41);3-6,9-10,17,19,42H,7-8,11-16,18,20H2,1-2H3,(H,33,36)(H,35,41);1-5,8-10,12,18,21,34H,6-7,11,13H2,(H,28,31)(H,30,35)/t;;18-,21-/m..0/s1
InChIKeyAJUSKZFTAUUHGY-MBPVHUHKSA-N
XLogP9.30
TPSA310.74 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001610.89
LogP ≤ 59.30
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze 7-[[5-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 7-[[5-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 157137633) is 7-[[5-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 7-[[5-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 7-[[5-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is CN1CCN(CC2(O)CCN(c3ccc(Nc4cnc(-c5ccnc6c5ccn6C)c5c4C(=O)NC5)nc3)CC2)CC1.Cc1cccn2c(-c3ccc(Nc4ccc(N5CCC(O)(CN6CCN(C)CC6)CC5)cn4)c4c3CNC4=O)cnc12.O=C1NCc2c(-c3cnc4cc(F)ccn34)ccc(Nc3ccc(N4CC[C@H](O)[C@@H](F)C4)cn3)c21.
What is the InChIKey of 7-[[5-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is AJUSKZFTAUUHGY-MBPVHUHKSA-N. The full InChI is InChI=1S/C32H38N8O2.C31H37N9O2.C25H22F2N6O2/c1-22-4-3-11-40-27(20-34-30(22)40)24-6-7-26(29-25(24)19-35-31(29)41)36-28-8-5-23(18-33-28)39-12-9-32(42,10-13-39)21-38-16-14-37(2)15-17-38;1-37-13-15-39(16-14-37)20-31(42)7-11-40(12-8-31)21-3-4-26(33-17-21)36-25-19-34-28(24-18-35-30(41)27(24)25)22-5-9-32-29-23(22)6-10-38(29)2;26-14-5-8-33-20(12-29-23(33)9-14)16-2-3-19(24-17(16)11-30-25(24)35)31-22-4-1-15(10-28-22)32-7-6-21(34)18(27)13-32/h3-8,11,18,20,42H,9-10,12-17,19,21H2,1-2H3,(H,33,36)(H,35,41);3-6,9-10,17,19,42H,7-8,11-16,18,20H2,1-2H3,(H,33,36)(H,35,41);1-5,8-10,12,18,21,34H,6-7,11,13H2,(H,28,31)(H,30,35)/t;;18-,21-/m..0/s1.
What are the key properties of 7-[[5-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
7-[[5-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 1610.89 g/mol, XLogP of 9.30, 16 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[(3S,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-2-pyridinyl]amino]-4-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(8-methylimidazo[1,2-a]pyridin-3-yl)-2,3-dihydroisoindol-1-one;7-[[5-[4-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-2-pyridinyl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 157137633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).